USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 655 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 SER OG : rot -94:sc= 0.0138! USER MOD Set 1.2: A 73 ASN : amide:sc= 0.898 K(o=2,f=-2.9!) USER MOD Set 1.3: A 75 TYR OH : rot -155:sc= 1.08 USER MOD Set 2.1: A 18 GLN : amide:sc= -2.05 K(o=-2.1,f=-0.5) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.0848 K(o=-2.1,f=-0.53) USER MOD Single : A 3 GLN : amide:sc= 0.038 X(o=0.038,f=-0.069) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 77:sc= 0.421 USER MOD Single : A 31 TYR OH : rot -130:sc= -0.034 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0229) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.184) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc=-0.00199 (180deg=-0.0564) USER MOD Single : A 48 GLN : amide:sc= -0.0875 K(o=-0.088,f=0.45) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.997! C(o=-1!,f=-1.3!) USER MOD Single : A 61 THR OG1 : rot -150:sc= -1.24 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=0.000307 USER MOD Single : A 82 SER OG : rot -104:sc= 0.399 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00557 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 89 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.11) USER MOD Single : A 91 ASN : amide:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 96 THR OG1 : rot -53:sc= 0.515 USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00839) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 14.715 -0.807 3.209 1.00 0.15 N ATOM 21 CA VAL A 2 13.415 -0.288 2.821 1.00 0.10 C ATOM 22 C VAL A 2 12.453 -0.259 4.017 1.00 0.09 C ATOM 23 O VAL A 2 12.596 -1.030 4.963 1.00 0.12 O ATOM 24 CB VAL A 2 12.791 -1.117 1.670 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.556 -0.434 1.151 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.769 -1.333 0.529 1.00 0.09 C ATOM 0 HA VAL A 2 13.572 0.731 2.467 1.00 0.10 H new ATOM 0 HB VAL A 2 12.531 -2.094 2.078 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.126 -1.025 0.343 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.828 -0.337 1.957 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.818 0.556 0.777 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.289 -1.919 -0.255 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.076 -0.368 0.125 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.645 -1.868 0.897 1.00 0.09 H new ATOM 36 N GLN A 3 11.500 0.658 3.964 1.00 0.09 N ATOM 37 CA GLN A 3 10.460 0.820 4.964 1.00 0.10 C ATOM 38 C GLN A 3 9.123 0.632 4.267 1.00 0.11 C ATOM 39 O GLN A 3 9.075 0.615 3.041 1.00 0.17 O ATOM 40 CB GLN A 3 10.516 2.225 5.563 1.00 0.16 C ATOM 41 CG GLN A 3 11.772 2.550 6.327 1.00 0.79 C ATOM 42 CD GLN A 3 12.035 1.623 7.501 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.589 1.877 8.620 1.00 1.37 O ATOM 44 NE2 GLN A 3 12.762 0.545 7.261 1.00 2.03 N ATOM 0 H GLN A 3 11.428 1.330 3.200 1.00 0.09 H new ATOM 0 HA GLN A 3 10.595 0.094 5.766 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.403 2.950 4.757 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.662 2.352 6.229 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.622 2.507 5.645 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.708 3.575 6.693 1.00 0.79 H new ATOM 0 HE21 GLN A 3 13.115 0.367 6.321 1.00 2.03 H new ATOM 0 HE22 GLN A 3 12.970 -0.108 8.016 1.00 2.03 H new ATOM 53 N CYS A 4 8.044 0.486 5.012 1.00 0.12 N ATOM 54 CA CYS A 4 6.759 0.302 4.370 1.00 0.13 C ATOM 55 C CYS A 4 5.619 0.866 5.198 1.00 0.17 C ATOM 56 O CYS A 4 5.679 0.920 6.427 1.00 0.29 O ATOM 57 CB CYS A 4 6.526 -1.173 4.069 1.00 0.17 C ATOM 58 SG CYS A 4 5.712 -2.105 5.406 1.00 0.30 S ATOM 0 H CYS A 4 8.029 0.491 6.032 1.00 0.12 H new ATOM 0 HA CYS A 4 6.779 0.858 3.433 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.919 -1.254 3.167 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.486 -1.641 3.851 1.00 0.17 H new ATOM 63 N GLU A 5 4.598 1.307 4.490 1.00 0.14 N ATOM 64 CA GLU A 5 3.384 1.847 5.066 1.00 0.16 C ATOM 65 C GLU A 5 2.225 1.454 4.172 1.00 0.15 C ATOM 66 O GLU A 5 2.435 0.828 3.134 1.00 0.17 O ATOM 67 CB GLU A 5 3.462 3.371 5.190 1.00 0.24 C ATOM 68 CG GLU A 5 4.491 3.845 6.198 1.00 0.33 C ATOM 69 CD GLU A 5 4.494 5.344 6.378 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.604 5.858 7.088 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.393 6.013 5.827 1.00 1.87 O ATOM 0 H GLU A 5 4.591 1.299 3.470 1.00 0.14 H new ATOM 0 HA GLU A 5 3.246 1.445 6.070 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.699 3.795 4.214 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.482 3.755 5.475 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.296 3.370 7.159 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.481 3.521 5.878 1.00 0.33 H new ATOM 78 N VAL A 6 1.017 1.788 4.576 1.00 0.17 N ATOM 79 CA VAL A 6 -0.164 1.391 3.833 1.00 0.18 C ATOM 80 C VAL A 6 -1.175 2.521 3.715 1.00 0.21 C ATOM 81 O VAL A 6 -1.801 2.935 4.696 1.00 0.33 O ATOM 82 CB VAL A 6 -0.814 0.186 4.492 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.200 -1.087 3.946 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.635 0.274 6.000 1.00 0.20 C ATOM 0 H VAL A 6 0.826 2.334 5.416 1.00 0.17 H new ATOM 0 HA VAL A 6 0.159 1.131 2.825 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.881 0.174 4.271 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.668 -1.949 4.421 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.359 -1.135 2.869 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.870 -1.094 4.155 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.101 -0.590 6.473 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.428 0.289 6.240 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.103 1.186 6.369 1.00 0.20 H new ATOM 94 N GLU A 7 -1.337 2.999 2.495 1.00 0.16 N ATOM 95 CA GLU A 7 -2.143 4.168 2.217 1.00 0.16 C ATOM 96 C GLU A 7 -3.355 3.830 1.389 1.00 0.16 C ATOM 97 O GLU A 7 -3.421 2.799 0.720 1.00 0.28 O ATOM 98 CB GLU A 7 -1.335 5.196 1.431 1.00 0.26 C ATOM 99 CG GLU A 7 -0.261 5.948 2.202 1.00 0.24 C ATOM 100 CD GLU A 7 0.438 5.146 3.277 1.00 1.05 C ATOM 101 OE1 GLU A 7 1.246 4.267 2.937 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.189 5.415 4.476 1.00 1.11 O ATOM 0 H GLU A 7 -0.910 2.584 1.667 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.455 4.565 3.183 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -0.860 4.688 0.592 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.027 5.925 1.011 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.487 6.308 1.495 1.00 0.24 H new ATOM 0 HG3 GLU A 7 -0.714 6.826 2.662 1.00 0.24 H new ATOM 109 N ALA A 8 -4.302 4.728 1.448 1.00 0.14 N ATOM 110 CA ALA A 8 -5.441 4.715 0.573 1.00 0.12 C ATOM 111 C ALA A 8 -5.664 6.144 0.086 1.00 0.15 C ATOM 112 O ALA A 8 -5.819 7.059 0.896 1.00 0.17 O ATOM 113 CB ALA A 8 -6.648 4.197 1.321 1.00 0.13 C ATOM 0 H ALA A 8 -4.303 5.500 2.115 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.276 4.059 -0.282 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.512 4.188 0.656 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.451 3.185 1.674 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.853 4.845 2.173 1.00 0.13 H new ATOM 119 N ALA A 9 -5.677 6.338 -1.219 1.00 0.16 N ATOM 120 CA ALA A 9 -5.763 7.672 -1.793 1.00 0.19 C ATOM 121 C ALA A 9 -7.135 7.905 -2.395 1.00 0.19 C ATOM 122 O ALA A 9 -7.450 7.395 -3.467 1.00 0.20 O ATOM 123 CB ALA A 9 -4.681 7.853 -2.844 1.00 0.22 C ATOM 0 H ALA A 9 -5.629 5.586 -1.907 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.611 8.406 -1.002 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -4.751 8.854 -3.270 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.701 7.722 -2.384 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.813 7.113 -3.633 1.00 0.22 H new ATOM 129 N VAL A 10 -7.946 8.686 -1.713 1.00 0.22 N ATOM 130 CA VAL A 10 -9.322 8.867 -2.129 1.00 0.23 C ATOM 131 C VAL A 10 -9.473 10.041 -3.082 1.00 0.27 C ATOM 132 O VAL A 10 -9.055 11.160 -2.790 1.00 0.33 O ATOM 133 CB VAL A 10 -10.259 9.057 -0.927 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.685 9.283 -1.402 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.184 7.853 -0.001 1.00 0.27 C ATOM 0 H VAL A 10 -7.680 9.202 -0.875 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.606 7.954 -2.653 1.00 0.23 H new ATOM 0 HB VAL A 10 -9.939 9.937 -0.369 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.339 9.416 -0.540 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.723 10.175 -2.028 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.017 8.420 -1.979 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -10.854 8.003 0.846 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.482 6.957 -0.545 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.163 7.735 0.361 1.00 0.27 H new ATOM 145 N SER A 11 -10.077 9.758 -4.219 1.00 0.29 N ATOM 146 CA SER A 11 -10.368 10.754 -5.226 1.00 0.36 C ATOM 147 C SER A 11 -11.883 10.924 -5.337 1.00 0.45 C ATOM 148 O SER A 11 -12.638 10.240 -4.639 1.00 0.63 O ATOM 149 CB SER A 11 -9.773 10.313 -6.558 1.00 0.45 C ATOM 150 OG SER A 11 -8.471 9.775 -6.374 1.00 1.22 O ATOM 0 H SER A 11 -10.382 8.818 -4.471 1.00 0.29 H new ATOM 0 HA SER A 11 -9.927 11.712 -4.950 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.418 9.566 -7.020 1.00 0.45 H new ATOM 0 HB3 SER A 11 -9.728 11.162 -7.240 1.00 0.45 H new ATOM 0 HG SER A 11 -8.107 9.496 -7.240 1.00 1.22 H new ATOM 156 N GLY A 12 -12.326 11.837 -6.189 1.00 0.45 N ATOM 157 CA GLY A 12 -13.747 12.080 -6.354 1.00 0.54 C ATOM 158 C GLY A 12 -14.477 10.911 -6.994 1.00 0.49 C ATOM 159 O GLY A 12 -14.575 10.831 -8.218 1.00 0.61 O ATOM 0 H GLY A 12 -11.724 12.418 -6.773 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.190 12.289 -5.380 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -13.889 12.970 -6.967 1.00 0.54 H new ATOM 163 N GLY A 13 -14.985 10.007 -6.164 1.00 0.45 N ATOM 164 CA GLY A 13 -15.752 8.877 -6.659 1.00 0.48 C ATOM 165 C GLY A 13 -14.969 7.574 -6.661 1.00 0.41 C ATOM 166 O GLY A 13 -15.551 6.493 -6.763 1.00 0.45 O ATOM 0 H GLY A 13 -14.879 10.037 -5.150 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.645 8.756 -6.045 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.089 9.092 -7.673 1.00 0.48 H new ATOM 170 N HIS A 14 -13.654 7.660 -6.528 1.00 0.34 N ATOM 171 CA HIS A 14 -12.807 6.471 -6.560 1.00 0.31 C ATOM 172 C HIS A 14 -11.734 6.546 -5.491 1.00 0.30 C ATOM 173 O HIS A 14 -11.379 7.626 -5.040 1.00 0.43 O ATOM 174 CB HIS A 14 -12.150 6.302 -7.934 1.00 0.34 C ATOM 175 CG HIS A 14 -13.083 5.821 -9.000 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.647 6.651 -9.943 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.542 4.578 -9.274 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.410 5.940 -10.750 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.361 4.681 -10.365 1.00 1.82 N ATOM 0 H HIS A 14 -13.149 8.536 -6.397 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.444 5.608 -6.366 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.725 7.257 -8.242 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.322 5.598 -7.845 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.306 3.674 -8.733 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.978 6.324 -11.584 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -14.855 3.907 -10.809 1.00 1.82 H new ATOM 188 N VAL A 15 -11.226 5.400 -5.082 1.00 0.23 N ATOM 189 CA VAL A 15 -10.163 5.356 -4.097 1.00 0.20 C ATOM 190 C VAL A 15 -8.998 4.519 -4.620 1.00 0.18 C ATOM 191 O VAL A 15 -9.148 3.342 -4.922 1.00 0.17 O ATOM 192 CB VAL A 15 -10.669 4.832 -2.722 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.360 3.480 -2.843 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.527 4.755 -1.717 1.00 0.17 C ATOM 0 H VAL A 15 -11.532 4.486 -5.417 1.00 0.23 H new ATOM 0 HA VAL A 15 -9.811 6.374 -3.932 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.408 5.547 -2.361 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.696 3.154 -1.859 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.218 3.568 -3.509 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.660 2.749 -3.248 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -9.906 4.386 -0.764 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.759 4.077 -2.090 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.098 5.747 -1.577 1.00 0.17 H new ATOM 204 N THR A 16 -7.847 5.150 -4.749 1.00 0.17 N ATOM 205 CA THR A 16 -6.652 4.487 -5.238 1.00 0.16 C ATOM 206 C THR A 16 -5.823 4.019 -4.057 1.00 0.14 C ATOM 207 O THR A 16 -5.349 4.826 -3.272 1.00 0.15 O ATOM 208 CB THR A 16 -5.806 5.456 -6.080 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.562 5.930 -7.199 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.525 4.793 -6.556 1.00 0.19 C ATOM 0 H THR A 16 -7.713 6.135 -4.519 1.00 0.17 H new ATOM 0 HA THR A 16 -6.950 3.640 -5.856 1.00 0.16 H new ATOM 0 HB THR A 16 -5.535 6.303 -5.450 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.013 6.547 -7.727 1.00 0.24 H new ATOM 0 HG21 THR A 16 -3.947 5.502 -7.149 1.00 0.19 H new ATOM 0 HG22 THR A 16 -3.937 4.476 -5.694 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.770 3.924 -7.167 1.00 0.19 H new ATOM 218 N LEU A 17 -5.631 2.730 -3.928 1.00 0.12 N ATOM 219 CA LEU A 17 -4.981 2.207 -2.749 1.00 0.10 C ATOM 220 C LEU A 17 -3.601 1.670 -3.078 1.00 0.13 C ATOM 221 O LEU A 17 -3.423 0.970 -4.071 1.00 0.17 O ATOM 222 CB LEU A 17 -5.844 1.138 -2.121 1.00 0.11 C ATOM 223 CG LEU A 17 -5.814 1.131 -0.599 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.211 0.943 -0.054 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.869 0.065 -0.082 1.00 0.11 C ATOM 0 H LEU A 17 -5.911 2.030 -4.615 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.852 3.018 -2.033 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.873 1.275 -2.453 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.519 0.163 -2.485 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.439 2.093 -0.251 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.179 0.939 1.036 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.848 1.759 -0.396 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.615 -0.005 -0.408 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.865 0.080 1.008 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.199 -0.914 -0.430 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.862 0.261 -0.451 1.00 0.11 H new ATOM 237 N GLN A 18 -2.628 2.047 -2.256 1.00 0.15 N ATOM 238 CA GLN A 18 -1.245 1.631 -2.424 1.00 0.19 C ATOM 239 C GLN A 18 -0.465 1.895 -1.134 1.00 0.24 C ATOM 240 O GLN A 18 -0.760 2.845 -0.419 1.00 0.51 O ATOM 241 CB GLN A 18 -0.608 2.367 -3.606 1.00 0.32 C ATOM 242 CG GLN A 18 -1.090 3.804 -3.782 1.00 0.78 C ATOM 243 CD GLN A 18 -0.306 4.572 -4.830 1.00 1.03 C ATOM 244 OE1 GLN A 18 -0.195 5.799 -4.763 1.00 1.58 O ATOM 245 NE2 GLN A 18 0.268 3.864 -5.789 1.00 1.77 N ATOM 0 H GLN A 18 -2.780 2.654 -1.450 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.216 0.562 -2.636 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.474 2.372 -3.476 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -0.816 1.811 -4.520 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.144 3.796 -4.060 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -1.016 4.325 -2.827 1.00 0.78 H new ATOM 0 HE21 GLN A 18 0.154 2.851 -5.813 1.00 1.77 H new ATOM 0 HE22 GLN A 18 0.824 4.332 -6.505 1.00 1.77 H new ATOM 254 N GLY A 19 0.522 1.057 -0.839 1.00 0.17 N ATOM 255 CA GLY A 19 1.277 1.194 0.401 1.00 0.18 C ATOM 256 C GLY A 19 2.555 2.000 0.218 1.00 0.18 C ATOM 257 O GLY A 19 3.310 1.752 -0.719 1.00 0.19 O ATOM 0 H GLY A 19 0.816 0.283 -1.435 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.651 1.676 1.152 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.527 0.204 0.782 1.00 0.18 H new ATOM 261 N VAL A 20 2.807 2.962 1.104 1.00 0.17 N ATOM 262 CA VAL A 20 3.973 3.831 0.974 1.00 0.18 C ATOM 263 C VAL A 20 5.227 3.222 1.575 1.00 0.21 C ATOM 264 O VAL A 20 5.393 3.111 2.784 1.00 0.45 O ATOM 265 CB VAL A 20 3.721 5.227 1.577 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.017 5.948 1.929 1.00 0.24 C ATOM 267 CG2 VAL A 20 2.913 6.070 0.611 1.00 0.20 C ATOM 0 H VAL A 20 2.222 3.158 1.916 1.00 0.17 H new ATOM 0 HA VAL A 20 4.139 3.942 -0.097 1.00 0.18 H new ATOM 0 HB VAL A 20 3.163 5.084 2.503 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.786 6.927 2.350 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.573 5.361 2.660 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.620 6.073 1.029 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.739 7.055 1.045 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.461 6.177 -0.325 1.00 0.20 H new ATOM 0 HG23 VAL A 20 1.956 5.585 0.417 1.00 0.20 H new ATOM 277 N ILE A 21 6.107 2.857 0.690 1.00 0.13 N ATOM 278 CA ILE A 21 7.410 2.347 1.030 1.00 0.11 C ATOM 279 C ILE A 21 8.419 3.478 1.067 1.00 0.13 C ATOM 280 O ILE A 21 8.799 4.007 0.033 1.00 0.14 O ATOM 281 CB ILE A 21 7.845 1.308 -0.017 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.301 -0.052 0.350 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.356 1.241 -0.184 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.424 -1.020 -0.781 1.00 0.10 C ATOM 0 H ILE A 21 5.938 2.905 -0.315 1.00 0.13 H new ATOM 0 HA ILE A 21 7.362 1.879 2.013 1.00 0.11 H new ATOM 0 HB ILE A 21 7.433 1.625 -0.975 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.837 -0.436 1.218 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.254 0.040 0.638 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.606 0.492 -0.935 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.730 2.214 -0.503 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.815 0.970 0.766 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.022 -1.987 -0.478 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.866 -0.648 -1.640 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.474 -1.132 -1.051 1.00 0.10 H new ATOM 296 N THR A 22 8.834 3.886 2.234 1.00 0.13 N ATOM 297 CA THR A 22 9.965 4.773 2.299 1.00 0.14 C ATOM 298 C THR A 22 11.196 3.923 2.185 1.00 0.14 C ATOM 299 O THR A 22 11.271 2.873 2.786 1.00 0.18 O ATOM 300 CB THR A 22 10.032 5.582 3.594 1.00 0.16 C ATOM 301 OG1 THR A 22 8.746 6.137 3.904 1.00 0.20 O ATOM 302 CG2 THR A 22 11.047 6.697 3.440 1.00 0.17 C ATOM 0 H THR A 22 8.421 3.629 3.131 1.00 0.13 H new ATOM 0 HA THR A 22 9.878 5.500 1.492 1.00 0.14 H new ATOM 0 HB THR A 22 10.333 4.923 4.408 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.804 6.651 4.736 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.096 7.275 4.363 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.027 6.270 3.227 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.749 7.349 2.619 1.00 0.17 H new ATOM 310 N ALA A 23 12.149 4.330 1.408 1.00 0.12 N ATOM 311 CA ALA A 23 13.325 3.524 1.271 1.00 0.12 C ATOM 312 C ALA A 23 14.528 4.328 1.661 1.00 0.14 C ATOM 313 O ALA A 23 14.799 5.341 1.066 1.00 0.16 O ATOM 314 CB ALA A 23 13.431 3.031 -0.149 1.00 0.11 C ATOM 0 H ALA A 23 12.141 5.196 0.869 1.00 0.12 H new ATOM 0 HA ALA A 23 13.267 2.657 1.929 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.326 2.417 -0.255 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.551 2.436 -0.394 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.493 3.883 -0.826 1.00 0.11 H new ATOM 320 N VAL A 24 15.250 3.871 2.663 1.00 0.16 N ATOM 321 CA VAL A 24 16.374 4.629 3.195 1.00 0.18 C ATOM 322 C VAL A 24 17.555 4.654 2.225 1.00 0.20 C ATOM 323 O VAL A 24 18.519 5.397 2.419 1.00 0.25 O ATOM 324 CB VAL A 24 16.823 4.078 4.562 1.00 0.22 C ATOM 325 CG1 VAL A 24 17.981 4.889 5.116 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.653 4.085 5.526 1.00 0.23 C ATOM 0 H VAL A 24 15.082 2.979 3.128 1.00 0.16 H new ATOM 0 HA VAL A 24 16.027 5.653 3.329 1.00 0.18 H new ATOM 0 HB VAL A 24 17.167 3.052 4.432 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.281 4.482 6.082 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.822 4.841 4.425 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.672 5.927 5.240 1.00 0.25 H new ATOM 0 HG21 VAL A 24 15.975 3.695 6.491 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.290 5.105 5.650 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.852 3.460 5.131 1.00 0.23 H new ATOM 336 N ARG A 25 17.481 3.870 1.163 1.00 0.21 N ATOM 337 CA ARG A 25 18.563 3.832 0.203 1.00 0.24 C ATOM 338 C ARG A 25 18.039 3.940 -1.221 1.00 0.23 C ATOM 339 O ARG A 25 17.045 3.308 -1.573 1.00 0.26 O ATOM 340 CB ARG A 25 19.372 2.565 0.391 1.00 0.33 C ATOM 341 CG ARG A 25 20.089 2.531 1.719 1.00 0.40 C ATOM 342 CD ARG A 25 21.331 3.385 1.686 1.00 0.73 C ATOM 343 NE ARG A 25 22.030 3.384 2.968 1.00 0.80 N ATOM 344 CZ ARG A 25 23.316 3.692 3.117 1.00 1.41 C ATOM 345 NH1 ARG A 25 24.048 4.034 2.067 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.866 3.660 4.323 1.00 1.42 N ATOM 0 H ARG A 25 16.693 3.260 0.948 1.00 0.21 H new ATOM 0 HA ARG A 25 19.212 4.691 0.376 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.712 1.701 0.316 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.101 2.480 -0.415 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.422 2.884 2.505 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.357 1.503 1.965 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.001 3.020 0.907 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.061 4.407 1.421 1.00 0.73 H new ATOM 0 HE ARG A 25 21.499 3.131 3.802 1.00 0.80 H new ATOM 0 HH11 ARG A 25 23.626 4.062 1.139 1.00 2.18 H new ATOM 0 HH12 ARG A 25 25.033 4.269 2.187 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.304 3.400 5.133 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.851 3.896 4.441 1.00 1.42 H new ATOM 360 N ASP A 26 18.704 4.764 -2.019 1.00 0.23 N ATOM 361 CA ASP A 26 18.309 4.999 -3.399 1.00 0.25 C ATOM 362 C ASP A 26 18.682 3.813 -4.270 1.00 0.24 C ATOM 363 O ASP A 26 19.571 3.028 -3.931 1.00 0.32 O ATOM 364 CB ASP A 26 18.966 6.272 -3.942 1.00 0.31 C ATOM 365 CG ASP A 26 20.476 6.164 -4.017 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.143 6.397 -2.989 1.00 0.73 O ATOM 367 OD2 ASP A 26 21.002 5.849 -5.102 1.00 1.54 O ATOM 0 H ASP A 26 19.530 5.287 -1.728 1.00 0.23 H new ATOM 0 HA ASP A 26 17.227 5.127 -3.423 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.571 6.484 -4.936 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.697 7.115 -3.305 1.00 0.31 H new ATOM 372 N GLY A 27 17.985 3.682 -5.377 1.00 0.24 N ATOM 373 CA GLY A 27 18.205 2.580 -6.275 1.00 0.26 C ATOM 374 C GLY A 27 16.900 1.907 -6.598 1.00 0.21 C ATOM 375 O GLY A 27 15.878 2.569 -6.742 1.00 0.23 O ATOM 0 H GLY A 27 17.257 4.332 -5.674 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.676 2.936 -7.191 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.890 1.863 -5.822 1.00 0.26 H new ATOM 379 N ALA A 28 16.920 0.602 -6.682 1.00 0.19 N ATOM 380 CA ALA A 28 15.708 -0.156 -6.931 1.00 0.18 C ATOM 381 C ALA A 28 15.620 -1.323 -5.959 1.00 0.24 C ATOM 382 O ALA A 28 16.625 -1.978 -5.675 1.00 0.45 O ATOM 383 CB ALA A 28 15.663 -0.642 -8.370 1.00 0.21 C ATOM 0 H ALA A 28 17.762 0.035 -6.582 1.00 0.19 H new ATOM 0 HA ALA A 28 14.847 0.494 -6.774 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.746 -1.208 -8.534 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.687 0.214 -9.044 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.524 -1.281 -8.565 1.00 0.21 H new ATOM 389 N GLY A 29 14.430 -1.572 -5.439 1.00 0.15 N ATOM 390 CA GLY A 29 14.244 -2.632 -4.484 1.00 0.19 C ATOM 391 C GLY A 29 13.042 -3.464 -4.837 1.00 0.17 C ATOM 392 O GLY A 29 12.343 -3.168 -5.803 1.00 0.21 O ATOM 0 H GLY A 29 13.584 -1.051 -5.667 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.133 -3.262 -4.456 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.120 -2.211 -3.486 1.00 0.19 H new ATOM 396 N SER A 30 12.778 -4.484 -4.052 1.00 0.15 N ATOM 397 CA SER A 30 11.682 -5.385 -4.356 1.00 0.15 C ATOM 398 C SER A 30 10.736 -5.520 -3.174 1.00 0.13 C ATOM 399 O SER A 30 11.163 -5.622 -2.024 1.00 0.14 O ATOM 400 CB SER A 30 12.221 -6.745 -4.776 1.00 0.20 C ATOM 401 OG SER A 30 13.157 -7.242 -3.831 1.00 0.23 O ATOM 0 H SER A 30 13.300 -4.712 -3.206 1.00 0.15 H new ATOM 0 HA SER A 30 11.114 -4.964 -5.185 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.396 -7.450 -4.879 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.696 -6.664 -5.754 1.00 0.20 H new ATOM 0 HG SER A 30 12.679 -7.586 -3.047 1.00 0.23 H new ATOM 407 N TYR A 31 9.446 -5.517 -3.479 1.00 0.13 N ATOM 408 CA TYR A 31 8.401 -5.530 -2.470 1.00 0.11 C ATOM 409 C TYR A 31 7.100 -6.082 -3.051 1.00 0.13 C ATOM 410 O TYR A 31 6.947 -6.196 -4.269 1.00 0.18 O ATOM 411 CB TYR A 31 8.199 -4.126 -1.902 1.00 0.10 C ATOM 412 CG TYR A 31 8.847 -3.017 -2.707 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.267 -2.575 -3.881 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.025 -2.394 -2.278 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.828 -1.555 -4.613 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.590 -1.366 -3.008 1.00 0.09 C ATOM 417 CZ TYR A 31 9.988 -0.952 -4.174 1.00 0.11 C ATOM 418 OH TYR A 31 10.545 0.074 -4.897 1.00 0.13 O ATOM 0 H TYR A 31 9.096 -5.505 -4.437 1.00 0.13 H new ATOM 0 HA TYR A 31 8.707 -6.186 -1.655 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.129 -3.928 -1.832 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.596 -4.099 -0.887 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.356 -3.039 -4.230 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.498 -2.721 -1.364 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.361 -1.227 -5.530 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.498 -0.891 -2.666 1.00 0.09 H new ATOM 0 HH TYR A 31 11.498 -0.105 -5.038 1.00 0.13 H new ATOM 428 N LYS A 32 6.177 -6.436 -2.170 1.00 0.13 N ATOM 429 CA LYS A 32 4.932 -7.089 -2.556 1.00 0.14 C ATOM 430 C LYS A 32 3.745 -6.487 -1.820 1.00 0.14 C ATOM 431 O LYS A 32 3.605 -6.654 -0.608 1.00 0.13 O ATOM 432 CB LYS A 32 5.012 -8.588 -2.249 1.00 0.16 C ATOM 433 CG LYS A 32 5.917 -8.922 -1.079 1.00 0.17 C ATOM 434 CD LYS A 32 7.343 -9.202 -1.537 1.00 0.25 C ATOM 435 CE LYS A 32 7.431 -10.494 -2.333 1.00 0.40 C ATOM 436 NZ LYS A 32 7.318 -11.692 -1.462 1.00 1.26 N ATOM 0 H LYS A 32 6.268 -6.279 -1.166 1.00 0.13 H new ATOM 0 HA LYS A 32 4.790 -6.937 -3.626 1.00 0.14 H new ATOM 0 HB2 LYS A 32 4.009 -8.961 -2.040 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.369 -9.113 -3.135 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.918 -8.094 -0.370 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.526 -9.792 -0.552 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.699 -8.373 -2.148 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.999 -9.263 -0.669 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.639 -10.514 -3.081 1.00 0.40 H new ATOM 0 HE3 LYS A 32 8.378 -10.525 -2.871 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 7.467 -12.550 -2.031 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 8.036 -11.645 -0.711 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 6.371 -11.721 -1.033 1.00 1.26 H new ATOM 450 N LEU A 33 2.887 -5.803 -2.553 1.00 0.17 N ATOM 451 CA LEU A 33 1.713 -5.183 -1.964 1.00 0.17 C ATOM 452 C LEU A 33 0.470 -5.981 -2.327 1.00 0.19 C ATOM 453 O LEU A 33 0.255 -6.339 -3.485 1.00 0.27 O ATOM 454 CB LEU A 33 1.589 -3.716 -2.426 1.00 0.22 C ATOM 455 CG LEU A 33 0.389 -2.905 -1.884 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.895 -3.262 -2.608 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.216 -3.110 -0.384 1.00 0.49 C ATOM 0 H LEU A 33 2.980 -5.662 -3.559 1.00 0.17 H new ATOM 0 HA LEU A 33 1.816 -5.182 -0.879 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.504 -3.195 -2.145 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.539 -3.707 -3.515 1.00 0.22 H new ATOM 0 HG LEU A 33 0.606 -1.853 -2.068 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.718 -2.673 -2.202 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.785 -3.047 -3.671 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.106 -4.323 -2.472 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.635 -2.527 -0.033 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.042 -4.166 -0.179 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.118 -2.784 0.134 1.00 0.49 H new ATOM 469 N ALA A 34 -0.335 -6.263 -1.327 1.00 0.16 N ATOM 470 CA ALA A 34 -1.613 -6.915 -1.538 1.00 0.19 C ATOM 471 C ALA A 34 -2.725 -6.127 -0.859 1.00 0.18 C ATOM 472 O ALA A 34 -2.591 -5.725 0.295 1.00 0.25 O ATOM 473 CB ALA A 34 -1.574 -8.346 -1.026 1.00 0.25 C ATOM 0 H ALA A 34 -0.127 -6.050 -0.351 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.817 -6.945 -2.608 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.542 -8.819 -1.193 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.802 -8.902 -1.558 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.350 -8.345 0.041 1.00 0.25 H new ATOM 479 N VAL A 35 -3.809 -5.889 -1.580 1.00 0.16 N ATOM 480 CA VAL A 35 -4.934 -5.148 -1.034 1.00 0.14 C ATOM 481 C VAL A 35 -6.111 -6.082 -0.789 1.00 0.16 C ATOM 482 O VAL A 35 -6.409 -6.962 -1.601 1.00 0.23 O ATOM 483 CB VAL A 35 -5.378 -3.983 -1.954 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.458 -3.150 -1.287 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.199 -3.104 -2.328 1.00 0.21 C ATOM 0 H VAL A 35 -3.933 -6.198 -2.544 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.601 -4.715 -0.091 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.786 -4.419 -2.866 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.754 -2.338 -1.952 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.323 -3.778 -1.074 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -6.074 -2.734 -0.355 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.539 -2.295 -2.974 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.756 -2.685 -1.424 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.454 -3.700 -2.855 1.00 0.21 H new ATOM 495 N ASP A 36 -6.755 -5.891 0.344 1.00 0.19 N ATOM 496 CA ASP A 36 -7.905 -6.681 0.736 1.00 0.24 C ATOM 497 C ASP A 36 -9.154 -5.812 0.661 1.00 0.25 C ATOM 498 O ASP A 36 -9.291 -4.845 1.408 1.00 0.31 O ATOM 499 CB ASP A 36 -7.700 -7.199 2.164 1.00 0.33 C ATOM 500 CG ASP A 36 -8.828 -8.088 2.653 1.00 1.05 C ATOM 501 OD1 ASP A 36 -9.904 -7.554 2.996 1.00 1.67 O ATOM 502 OD2 ASP A 36 -8.651 -9.324 2.694 1.00 1.52 O ATOM 0 H ASP A 36 -6.493 -5.178 1.024 1.00 0.19 H new ATOM 0 HA ASP A 36 -8.023 -7.533 0.066 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.764 -7.755 2.209 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.599 -6.349 2.839 1.00 0.33 H new ATOM 507 N LYS A 37 -10.055 -6.135 -0.246 1.00 0.28 N ATOM 508 CA LYS A 37 -11.262 -5.365 -0.408 1.00 0.33 C ATOM 509 C LYS A 37 -12.483 -6.230 -0.125 1.00 0.46 C ATOM 510 O LYS A 37 -12.552 -7.384 -0.559 1.00 0.63 O ATOM 511 CB LYS A 37 -11.313 -4.773 -1.808 1.00 0.42 C ATOM 512 CG LYS A 37 -12.721 -4.518 -2.274 1.00 0.95 C ATOM 513 CD LYS A 37 -12.773 -3.845 -3.638 1.00 0.77 C ATOM 514 CE LYS A 37 -12.558 -4.824 -4.772 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.825 -4.203 -6.096 1.00 1.34 N ATOM 0 H LYS A 37 -9.969 -6.928 -0.881 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.265 -4.544 0.309 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.753 -3.838 -1.824 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.820 -5.452 -2.504 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.262 -5.463 -2.318 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.234 -3.892 -1.544 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -13.739 -3.356 -3.762 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.012 -3.066 -3.685 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.533 -5.193 -4.744 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -13.211 -5.686 -4.637 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -13.051 -4.945 -6.788 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.628 -3.547 -6.016 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -11.982 -3.681 -6.411 1.00 1.34 H new ATOM 622 N ILE A 46 -6.488 -8.405 -4.277 1.00 0.38 N ATOM 623 CA ILE A 46 -5.523 -7.637 -5.049 1.00 0.33 C ATOM 624 C ILE A 46 -4.108 -8.016 -4.637 1.00 0.30 C ATOM 625 O ILE A 46 -3.723 -7.809 -3.492 1.00 0.34 O ATOM 626 CB ILE A 46 -5.698 -6.124 -4.863 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.049 -5.662 -5.410 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.569 -5.384 -5.558 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.198 -5.798 -4.431 1.00 0.40 C ATOM 0 HA ILE A 46 -5.697 -7.875 -6.098 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.668 -5.900 -3.797 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -6.967 -4.618 -5.713 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.281 -6.237 -6.306 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.700 -4.310 -5.422 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.615 -5.691 -5.129 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -4.581 -5.619 -6.622 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.118 -5.448 -4.899 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.311 -6.844 -4.145 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.992 -5.200 -3.543 1.00 0.40 H new ATOM 641 N LYS A 47 -3.344 -8.583 -5.555 1.00 0.31 N ATOM 642 CA LYS A 47 -1.966 -8.962 -5.267 1.00 0.38 C ATOM 643 C LYS A 47 -1.025 -8.431 -6.336 1.00 0.41 C ATOM 644 O LYS A 47 -1.128 -8.805 -7.502 1.00 0.51 O ATOM 645 CB LYS A 47 -1.816 -10.479 -5.147 1.00 0.51 C ATOM 646 CG LYS A 47 -2.163 -11.042 -3.774 1.00 0.91 C ATOM 647 CD LYS A 47 -3.663 -11.060 -3.521 1.00 1.56 C ATOM 648 CE LYS A 47 -3.985 -11.430 -2.083 1.00 2.17 C ATOM 649 NZ LYS A 47 -3.432 -12.754 -1.703 1.00 2.74 N ATOM 0 H LYS A 47 -3.651 -8.792 -6.505 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.700 -8.516 -4.309 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.454 -10.954 -5.892 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.788 -10.750 -5.387 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -1.770 -12.055 -3.689 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -1.674 -10.445 -3.004 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -4.082 -10.080 -3.747 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -4.137 -11.773 -4.195 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -3.585 -10.667 -1.416 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -5.066 -11.438 -1.946 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 -3.762 -13.008 -0.750 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 -3.753 -13.472 -2.383 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 -2.393 -12.711 -1.709 1.00 2.74 H new ATOM 663 N GLN A 48 -0.122 -7.548 -5.937 1.00 0.40 N ATOM 664 CA GLN A 48 0.872 -6.998 -6.845 1.00 0.47 C ATOM 665 C GLN A 48 2.262 -7.099 -6.231 1.00 0.50 C ATOM 666 O GLN A 48 2.558 -6.449 -5.229 1.00 0.78 O ATOM 667 CB GLN A 48 0.545 -5.539 -7.157 1.00 0.52 C ATOM 668 CG GLN A 48 -0.677 -5.368 -8.041 1.00 0.55 C ATOM 669 CD GLN A 48 -0.440 -5.852 -9.459 1.00 0.82 C ATOM 670 OE1 GLN A 48 -0.677 -7.015 -9.782 1.00 1.63 O ATOM 671 NE2 GLN A 48 0.032 -4.960 -10.314 1.00 1.37 N ATOM 0 H GLN A 48 -0.058 -7.195 -4.982 1.00 0.40 H new ATOM 0 HA GLN A 48 0.855 -7.573 -7.771 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.385 -5.003 -6.222 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.404 -5.079 -7.645 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -1.514 -5.916 -7.608 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -0.962 -4.316 -8.062 1.00 0.55 H new ATOM 0 HE21 GLN A 48 0.215 -4.005 -10.006 1.00 1.37 H new ATOM 0 HE22 GLN A 48 0.213 -5.227 -11.282 1.00 1.37 H new ATOM 680 N ALA A 49 3.125 -7.891 -6.844 1.00 0.32 N ATOM 681 CA ALA A 49 4.464 -8.104 -6.319 1.00 0.31 C ATOM 682 C ALA A 49 5.510 -7.934 -7.408 1.00 0.31 C ATOM 683 O ALA A 49 5.277 -8.282 -8.568 1.00 0.39 O ATOM 684 CB ALA A 49 4.565 -9.485 -5.693 1.00 0.33 C ATOM 0 H ALA A 49 2.923 -8.398 -7.706 1.00 0.32 H new ATOM 0 HA ALA A 49 4.656 -7.354 -5.551 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.572 -9.635 -5.303 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.844 -9.569 -4.880 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.352 -10.243 -6.447 1.00 0.33 H new ATOM 690 N GLY A 50 6.660 -7.398 -7.032 1.00 0.25 N ATOM 691 CA GLY A 50 7.736 -7.206 -7.981 1.00 0.26 C ATOM 692 C GLY A 50 8.825 -6.324 -7.425 1.00 0.23 C ATOM 693 O GLY A 50 9.127 -6.378 -6.230 1.00 0.25 O ATOM 0 H GLY A 50 6.868 -7.091 -6.082 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.157 -8.174 -8.254 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.340 -6.762 -8.894 1.00 0.26 H new ATOM 697 N ALA A 51 9.408 -5.510 -8.284 1.00 0.23 N ATOM 698 CA ALA A 51 10.461 -4.603 -7.886 1.00 0.21 C ATOM 699 C ALA A 51 10.270 -3.254 -8.561 1.00 0.23 C ATOM 700 O ALA A 51 9.854 -3.181 -9.721 1.00 0.38 O ATOM 701 CB ALA A 51 11.819 -5.184 -8.228 1.00 0.23 C ATOM 0 H ALA A 51 9.164 -5.461 -9.273 1.00 0.23 H new ATOM 0 HA ALA A 51 10.413 -4.462 -6.806 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.600 -4.488 -7.922 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.952 -6.131 -7.705 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.883 -5.351 -9.303 1.00 0.23 H new ATOM 707 N PHE A 52 10.561 -2.192 -7.841 1.00 0.15 N ATOM 708 CA PHE A 52 10.385 -0.848 -8.354 1.00 0.16 C ATOM 709 C PHE A 52 11.550 0.018 -7.886 1.00 0.14 C ATOM 710 O PHE A 52 12.404 -0.441 -7.125 1.00 0.16 O ATOM 711 CB PHE A 52 9.026 -0.290 -7.897 1.00 0.17 C ATOM 712 CG PHE A 52 8.704 1.094 -8.391 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.622 1.368 -9.745 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.497 2.125 -7.491 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.339 2.643 -10.192 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.217 3.404 -7.929 1.00 0.18 C ATOM 717 CZ PHE A 52 8.138 3.664 -9.283 1.00 0.23 C ATOM 0 H PHE A 52 10.924 -2.234 -6.889 1.00 0.15 H new ATOM 0 HA PHE A 52 10.383 -0.852 -9.444 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.241 -0.969 -8.230 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.001 -0.285 -6.807 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.781 0.575 -10.460 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.555 1.926 -6.431 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.275 2.842 -11.251 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.060 4.199 -7.215 1.00 0.18 H new ATOM 0 HZ PHE A 52 7.920 4.663 -9.631 1.00 0.23 H new ATOM 727 N THR A 53 11.598 1.249 -8.348 1.00 0.15 N ATOM 728 CA THR A 53 12.678 2.144 -8.010 1.00 0.16 C ATOM 729 C THR A 53 12.372 2.866 -6.706 1.00 0.16 C ATOM 730 O THR A 53 11.256 3.343 -6.506 1.00 0.27 O ATOM 731 CB THR A 53 12.897 3.166 -9.122 1.00 0.21 C ATOM 732 OG1 THR A 53 12.508 2.606 -10.388 1.00 0.43 O ATOM 733 CG2 THR A 53 14.354 3.584 -9.178 1.00 0.40 C ATOM 0 H THR A 53 10.893 1.653 -8.964 1.00 0.15 H new ATOM 0 HA THR A 53 13.586 1.554 -7.891 1.00 0.16 H new ATOM 0 HB THR A 53 12.285 4.043 -8.911 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.650 3.268 -11.096 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.493 4.313 -9.976 1.00 0.40 H new ATOM 0 HG22 THR A 53 14.642 4.029 -8.226 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.976 2.710 -9.372 1.00 0.40 H new ATOM 741 N ALA A 54 13.352 2.939 -5.824 1.00 0.13 N ATOM 742 CA ALA A 54 13.141 3.533 -4.520 1.00 0.13 C ATOM 743 C ALA A 54 14.303 4.438 -4.133 1.00 0.14 C ATOM 744 O ALA A 54 15.448 4.003 -4.060 1.00 0.23 O ATOM 745 CB ALA A 54 12.920 2.449 -3.473 1.00 0.15 C ATOM 0 H ALA A 54 14.298 2.595 -5.987 1.00 0.13 H new ATOM 0 HA ALA A 54 12.245 4.152 -4.568 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.763 2.911 -2.498 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.044 1.858 -3.740 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.795 1.801 -3.430 1.00 0.15 H new ATOM 751 N ILE A 55 13.988 5.704 -3.907 1.00 0.17 N ATOM 752 CA ILE A 55 14.973 6.704 -3.515 1.00 0.18 C ATOM 753 C ILE A 55 15.144 6.737 -2.008 1.00 0.16 C ATOM 754 O ILE A 55 14.185 6.548 -1.260 1.00 0.14 O ATOM 755 CB ILE A 55 14.555 8.088 -4.019 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.672 8.127 -5.537 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.385 9.184 -3.380 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.763 9.037 -6.048 1.00 0.33 C ATOM 0 H ILE A 55 13.039 6.069 -3.990 1.00 0.17 H new ATOM 0 HA ILE A 55 15.927 6.431 -3.966 1.00 0.18 H new ATOM 0 HB ILE A 55 13.518 8.268 -3.735 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.855 7.117 -5.903 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.719 8.449 -5.956 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.062 10.153 -3.760 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.254 9.156 -2.298 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.437 9.032 -3.622 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.780 9.008 -7.137 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.572 10.057 -5.715 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.726 8.704 -5.661 1.00 0.33 H new ATOM 770 N ALA A 56 16.375 6.984 -1.581 1.00 0.17 N ATOM 771 CA ALA A 56 16.710 7.011 -0.165 1.00 0.18 C ATOM 772 C ALA A 56 15.978 8.122 0.566 1.00 0.17 C ATOM 773 O ALA A 56 16.005 9.281 0.147 1.00 0.20 O ATOM 774 CB ALA A 56 18.203 7.144 0.056 1.00 0.22 C ATOM 0 H ALA A 56 17.163 7.170 -2.201 1.00 0.17 H new ATOM 0 HA ALA A 56 16.384 6.056 0.247 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.412 7.161 1.126 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.715 6.297 -0.401 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.557 8.070 -0.397 1.00 0.22 H new ATOM 780 N GLU A 57 15.308 7.735 1.648 1.00 0.16 N ATOM 781 CA GLU A 57 14.569 8.649 2.501 1.00 0.18 C ATOM 782 C GLU A 57 13.425 9.282 1.725 1.00 0.19 C ATOM 783 O GLU A 57 12.912 10.344 2.077 1.00 0.28 O ATOM 784 CB GLU A 57 15.520 9.681 3.082 1.00 0.23 C ATOM 785 CG GLU A 57 16.634 9.040 3.896 1.00 0.27 C ATOM 786 CD GLU A 57 17.749 10.003 4.226 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.705 10.108 3.429 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.676 10.652 5.293 1.00 0.75 O ATOM 0 H GLU A 57 15.265 6.764 1.957 1.00 0.16 H new ATOM 0 HA GLU A 57 14.123 8.106 3.334 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.955 10.268 2.273 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.962 10.372 3.714 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.218 8.642 4.822 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.043 8.195 3.341 1.00 0.27 H new ATOM 795 N GLN A 58 13.030 8.586 0.672 1.00 0.16 N ATOM 796 CA GLN A 58 11.933 8.980 -0.169 1.00 0.18 C ATOM 797 C GLN A 58 10.831 7.961 -0.087 1.00 0.17 C ATOM 798 O GLN A 58 11.072 6.758 0.019 1.00 0.19 O ATOM 799 CB GLN A 58 12.372 9.123 -1.604 1.00 0.20 C ATOM 800 CG GLN A 58 12.400 10.562 -2.075 1.00 0.28 C ATOM 801 CD GLN A 58 11.545 11.490 -1.229 1.00 0.70 C ATOM 802 OE1 GLN A 58 12.015 12.078 -0.257 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.280 11.623 -1.596 1.00 1.48 N ATOM 0 H GLN A 58 13.477 7.717 0.380 1.00 0.16 H new ATOM 0 HA GLN A 58 11.571 9.946 0.183 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.366 8.690 -1.719 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.699 8.551 -2.243 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.430 10.920 -2.066 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.057 10.605 -3.109 1.00 0.28 H new ATOM 0 HE21 GLN A 58 9.929 11.117 -2.409 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.656 12.231 -1.066 1.00 1.48 H new ATOM 812 N ARG A 59 9.632 8.464 -0.114 1.00 0.16 N ATOM 813 CA ARG A 59 8.448 7.635 -0.107 1.00 0.17 C ATOM 814 C ARG A 59 8.180 7.077 -1.493 1.00 0.17 C ATOM 815 O ARG A 59 8.195 7.806 -2.489 1.00 0.22 O ATOM 816 CB ARG A 59 7.245 8.431 0.369 1.00 0.24 C ATOM 817 CG ARG A 59 7.049 8.416 1.873 1.00 0.30 C ATOM 818 CD ARG A 59 8.253 8.941 2.621 1.00 0.44 C ATOM 819 NE ARG A 59 8.506 10.357 2.361 1.00 1.37 N ATOM 820 CZ ARG A 59 9.366 11.094 3.060 1.00 1.72 C ATOM 821 NH1 ARG A 59 9.989 10.575 4.114 1.00 1.51 N ATOM 822 NH2 ARG A 59 9.588 12.355 2.716 1.00 2.72 N ATOM 0 H ARG A 59 9.440 9.465 -0.142 1.00 0.16 H new ATOM 0 HA ARG A 59 8.618 6.806 0.580 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.352 9.464 0.037 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.349 8.034 -0.108 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.177 9.018 2.128 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.840 7.397 2.198 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.104 8.793 3.691 1.00 0.44 H new ATOM 0 HD3 ARG A 59 9.132 8.361 2.339 1.00 0.44 H new ATOM 0 HE ARG A 59 7.995 10.806 1.601 1.00 1.37 H new ATOM 0 HH11 ARG A 59 9.808 9.609 4.389 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.648 11.142 4.648 1.00 1.51 H new ATOM 0 HH21 ARG A 59 9.100 12.759 1.917 1.00 2.72 H new ATOM 0 HH22 ARG A 59 10.247 12.921 3.251 1.00 2.72 H new ATOM 836 N VAL A 60 7.963 5.783 -1.542 1.00 0.13 N ATOM 837 CA VAL A 60 7.630 5.087 -2.762 1.00 0.14 C ATOM 838 C VAL A 60 6.344 4.317 -2.549 1.00 0.13 C ATOM 839 O VAL A 60 6.325 3.324 -1.837 1.00 0.12 O ATOM 840 CB VAL A 60 8.767 4.115 -3.150 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.350 3.202 -4.291 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.005 4.905 -3.527 1.00 0.15 C ATOM 0 H VAL A 60 8.014 5.176 -0.724 1.00 0.13 H new ATOM 0 HA VAL A 60 7.501 5.808 -3.570 1.00 0.14 H new ATOM 0 HB VAL A 60 8.990 3.484 -2.290 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.172 2.531 -4.539 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.482 2.616 -3.989 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.096 3.803 -5.164 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.806 4.218 -3.800 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.779 5.554 -4.373 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.322 5.512 -2.679 1.00 0.15 H new ATOM 852 N THR A 61 5.268 4.750 -3.170 1.00 0.15 N ATOM 853 CA THR A 61 4.002 4.105 -2.924 1.00 0.15 C ATOM 854 C THR A 61 3.796 2.963 -3.898 1.00 0.16 C ATOM 855 O THR A 61 3.937 3.124 -5.112 1.00 0.19 O ATOM 856 CB THR A 61 2.823 5.081 -2.977 1.00 0.17 C ATOM 857 OG1 THR A 61 3.227 6.371 -2.496 1.00 0.19 O ATOM 858 CG2 THR A 61 1.688 4.553 -2.121 1.00 0.19 C ATOM 0 H THR A 61 5.244 5.526 -3.832 1.00 0.15 H new ATOM 0 HA THR A 61 4.035 3.709 -1.909 1.00 0.15 H new ATOM 0 HB THR A 61 2.488 5.177 -4.010 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.459 6.823 -2.087 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.849 5.248 -2.159 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.371 3.581 -2.497 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.027 4.450 -1.090 1.00 0.19 H new ATOM 866 N VAL A 62 3.476 1.808 -3.353 1.00 0.15 N ATOM 867 CA VAL A 62 3.503 0.585 -4.112 1.00 0.15 C ATOM 868 C VAL A 62 2.176 -0.163 -4.065 1.00 0.15 C ATOM 869 O VAL A 62 1.536 -0.247 -3.018 1.00 0.16 O ATOM 870 CB VAL A 62 4.663 -0.308 -3.610 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.424 -1.788 -3.883 1.00 0.14 C ATOM 872 CG2 VAL A 62 5.971 0.161 -4.230 1.00 0.16 C ATOM 0 H VAL A 62 3.193 1.695 -2.380 1.00 0.15 H new ATOM 0 HA VAL A 62 3.669 0.844 -5.158 1.00 0.15 H new ATOM 0 HB VAL A 62 4.719 -0.206 -2.526 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.269 -2.368 -3.510 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.513 -2.109 -3.378 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.320 -1.948 -4.956 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.788 -0.468 -3.876 1.00 0.16 H new ATOM 0 HG22 VAL A 62 5.904 0.092 -5.316 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.159 1.195 -3.943 1.00 0.16 H new ATOM 882 N GLY A 63 1.766 -0.685 -5.218 1.00 0.18 N ATOM 883 CA GLY A 63 0.553 -1.471 -5.292 1.00 0.21 C ATOM 884 C GLY A 63 -0.623 -0.650 -5.732 1.00 0.20 C ATOM 885 O GLY A 63 -1.720 -0.785 -5.200 1.00 0.28 O ATOM 0 H GLY A 63 2.257 -0.575 -6.105 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.699 -2.298 -5.987 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.345 -1.909 -4.316 1.00 0.21 H new ATOM 889 N ASN A 64 -0.383 0.191 -6.714 1.00 0.33 N ATOM 890 CA ASN A 64 -1.381 1.135 -7.191 1.00 0.40 C ATOM 891 C ASN A 64 -2.552 0.409 -7.822 1.00 0.37 C ATOM 892 O ASN A 64 -2.444 -0.128 -8.927 1.00 0.52 O ATOM 893 CB ASN A 64 -0.759 2.090 -8.217 1.00 0.67 C ATOM 894 CG ASN A 64 -1.742 3.131 -8.723 1.00 1.31 C ATOM 895 OD1 ASN A 64 -1.864 4.213 -8.154 1.00 2.17 O ATOM 896 ND2 ASN A 64 -2.437 2.820 -9.806 1.00 1.98 N ATOM 0 H ASN A 64 0.508 0.243 -7.207 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.742 1.706 -6.335 1.00 0.40 H new ATOM 0 HB2 ASN A 64 0.096 2.593 -7.766 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.381 1.513 -9.061 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -3.101 3.489 -10.195 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -2.308 1.911 -10.251 1.00 1.98 H new ATOM 903 N VAL A 65 -3.665 0.402 -7.119 1.00 0.25 N ATOM 904 CA VAL A 65 -4.908 -0.139 -7.644 1.00 0.33 C ATOM 905 C VAL A 65 -6.060 0.787 -7.284 1.00 0.27 C ATOM 906 O VAL A 65 -6.093 1.349 -6.189 1.00 0.35 O ATOM 907 CB VAL A 65 -5.187 -1.569 -7.119 1.00 0.43 C ATOM 908 CG1 VAL A 65 -4.072 -2.516 -7.539 1.00 1.29 C ATOM 909 CG2 VAL A 65 -5.355 -1.580 -5.605 1.00 1.10 C ATOM 0 H VAL A 65 -3.737 0.769 -6.170 1.00 0.25 H new ATOM 0 HA VAL A 65 -4.813 -0.206 -8.728 1.00 0.33 H new ATOM 0 HB VAL A 65 -6.123 -1.912 -7.561 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -4.283 -3.517 -7.162 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -4.009 -2.544 -8.627 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -3.124 -2.167 -7.129 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -5.550 -2.598 -5.268 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -4.444 -1.210 -5.135 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -6.192 -0.940 -5.327 1.00 1.10 H new ATOM 919 N VAL A 66 -6.986 0.981 -8.206 1.00 0.25 N ATOM 920 CA VAL A 66 -8.072 1.918 -7.979 1.00 0.23 C ATOM 921 C VAL A 66 -9.395 1.199 -7.751 1.00 0.24 C ATOM 922 O VAL A 66 -9.833 0.380 -8.562 1.00 0.27 O ATOM 923 CB VAL A 66 -8.211 2.925 -9.137 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.319 3.928 -8.852 1.00 0.30 C ATOM 925 CG2 VAL A 66 -6.891 3.643 -9.371 1.00 0.29 C ATOM 0 H VAL A 66 -7.009 0.508 -9.110 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.820 2.471 -7.074 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.476 2.375 -10.040 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.398 4.629 -9.683 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.265 3.400 -8.731 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.089 4.475 -7.938 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.003 4.352 -10.192 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.603 4.178 -8.466 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.120 2.915 -9.623 1.00 0.29 H new ATOM 935 N LEU A 67 -10.006 1.519 -6.625 1.00 0.22 N ATOM 936 CA LEU A 67 -11.281 0.957 -6.221 1.00 0.23 C ATOM 937 C LEU A 67 -12.358 2.027 -6.353 1.00 0.24 C ATOM 938 O LEU A 67 -12.044 3.203 -6.553 1.00 0.26 O ATOM 939 CB LEU A 67 -11.237 0.507 -4.756 1.00 0.21 C ATOM 940 CG LEU A 67 -10.101 -0.430 -4.317 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.978 -1.623 -5.252 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.770 0.308 -4.195 1.00 0.18 C ATOM 0 H LEU A 67 -9.624 2.187 -5.955 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.497 0.099 -6.857 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.190 1.401 -4.135 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.182 0.012 -4.531 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.359 -0.803 -3.326 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.166 -2.267 -4.915 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.912 -2.185 -5.249 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.768 -1.273 -6.263 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -7.994 -0.391 -3.883 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.503 0.739 -5.160 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -8.861 1.103 -3.455 1.00 0.18 H new ATOM 954 N ASP A 68 -13.620 1.637 -6.245 1.00 0.26 N ATOM 955 CA ASP A 68 -14.688 2.619 -6.097 1.00 0.28 C ATOM 956 C ASP A 68 -14.637 3.164 -4.677 1.00 0.28 C ATOM 957 O ASP A 68 -14.375 2.417 -3.736 1.00 0.30 O ATOM 958 CB ASP A 68 -16.073 2.019 -6.396 1.00 0.32 C ATOM 959 CG ASP A 68 -16.556 1.033 -5.346 1.00 0.79 C ATOM 960 OD1 ASP A 68 -17.196 1.468 -4.362 1.00 1.25 O ATOM 961 OD2 ASP A 68 -16.323 -0.183 -5.517 1.00 0.92 O ATOM 0 H ASP A 68 -13.928 0.665 -6.256 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.536 3.420 -6.821 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.798 2.828 -6.481 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.040 1.518 -7.363 1.00 0.32 H new ATOM 966 N TYR A 69 -14.847 4.458 -4.509 1.00 0.28 N ATOM 967 CA TYR A 69 -14.720 5.053 -3.190 1.00 0.27 C ATOM 968 C TYR A 69 -15.982 4.878 -2.372 1.00 0.27 C ATOM 969 O TYR A 69 -17.066 5.305 -2.775 1.00 0.30 O ATOM 970 CB TYR A 69 -14.373 6.535 -3.267 1.00 0.29 C ATOM 971 CG TYR A 69 -14.588 7.255 -1.956 1.00 0.28 C ATOM 972 CD1 TYR A 69 -13.910 6.861 -0.810 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.465 8.327 -1.866 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.107 7.517 0.397 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.666 8.985 -0.670 1.00 0.32 C ATOM 976 CZ TYR A 69 -14.987 8.575 0.456 1.00 0.30 C ATOM 977 OH TYR A 69 -15.197 9.219 1.649 1.00 0.33 O ATOM 0 H TYR A 69 -15.102 5.107 -5.254 1.00 0.28 H new ATOM 0 HA TYR A 69 -13.903 4.526 -2.697 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.332 6.645 -3.570 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -14.981 7.006 -4.039 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.219 6.032 -0.859 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -15.999 8.652 -2.747 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.575 7.201 1.282 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.352 9.817 -0.617 1.00 0.32 H new ATOM 0 HH TYR A 69 -15.845 9.943 1.520 1.00 0.33 H new ATOM 987 N SER A 70 -15.833 4.233 -1.230 1.00 0.25 N ATOM 988 CA SER A 70 -16.894 4.165 -0.251 1.00 0.27 C ATOM 989 C SER A 70 -16.292 4.216 1.147 1.00 0.29 C ATOM 990 O SER A 70 -15.442 3.396 1.491 1.00 0.28 O ATOM 991 CB SER A 70 -17.737 2.906 -0.465 1.00 0.30 C ATOM 992 OG SER A 70 -17.094 2.011 -1.362 1.00 0.99 O ATOM 0 H SER A 70 -14.979 3.746 -0.959 1.00 0.25 H new ATOM 0 HA SER A 70 -17.560 5.020 -0.367 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.906 2.410 0.491 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.715 3.181 -0.859 1.00 0.30 H new ATOM 0 HG SER A 70 -17.422 2.168 -2.272 1.00 0.99 H new ATOM 998 N SER A 71 -16.710 5.193 1.939 1.00 0.36 N ATOM 999 CA SER A 71 -16.181 5.365 3.285 1.00 0.42 C ATOM 1000 C SER A 71 -16.594 4.209 4.193 1.00 0.43 C ATOM 1001 O SER A 71 -15.998 3.984 5.248 1.00 0.50 O ATOM 1002 CB SER A 71 -16.656 6.692 3.854 1.00 0.50 C ATOM 1003 OG SER A 71 -18.059 6.843 3.705 1.00 0.54 O ATOM 0 H SER A 71 -17.415 5.880 1.672 1.00 0.36 H new ATOM 0 HA SER A 71 -15.092 5.367 3.233 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.391 6.753 4.910 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.144 7.511 3.349 1.00 0.50 H new ATOM 0 HG SER A 71 -18.337 7.704 4.081 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.624 3.486 3.774 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.108 2.333 4.513 1.00 0.43 C ATOM 1011 C ALA A 72 -17.660 1.034 3.854 1.00 0.40 C ATOM 1012 O ALA A 72 -18.178 -0.040 4.154 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.618 2.377 4.607 1.00 0.47 C ATOM 0 H ALA A 72 -18.143 3.682 2.918 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.685 2.367 5.517 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.973 1.509 5.163 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -19.924 3.288 5.122 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.045 2.366 3.604 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.707 1.136 2.944 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.189 -0.041 2.262 1.00 0.30 C ATOM 1021 C ASN A 73 -14.967 -0.567 2.993 1.00 0.33 C ATOM 1022 O ASN A 73 -14.129 0.214 3.453 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.805 0.281 0.821 1.00 0.32 C ATOM 1024 CG ASN A 73 -15.987 -0.915 -0.099 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -15.814 -2.062 0.306 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.347 -0.652 -1.343 1.00 0.95 N ATOM 0 H ASN A 73 -16.277 2.016 2.660 1.00 0.32 H new ATOM 0 HA ASN A 73 -16.975 -0.796 2.256 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.413 1.111 0.461 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.766 0.609 0.788 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.491 -1.415 -2.004 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -16.481 0.314 -1.642 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.856 -1.881 3.110 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.692 -2.469 3.739 1.00 0.35 C ATOM 1035 C ARG A 74 -12.554 -2.539 2.743 1.00 0.27 C ATOM 1036 O ARG A 74 -12.570 -3.340 1.808 1.00 0.32 O ATOM 1037 CB ARG A 74 -14.005 -3.863 4.271 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.972 -3.872 5.442 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.416 -3.098 6.623 1.00 1.02 C ATOM 1040 NE ARG A 74 -15.280 -3.188 7.794 1.00 1.49 N ATOM 1041 CZ ARG A 74 -15.147 -2.422 8.871 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -14.198 -1.495 8.918 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -15.966 -2.578 9.901 1.00 2.50 N ATOM 0 H ARG A 74 -15.551 -2.551 2.781 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.400 -1.841 4.581 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.422 -4.464 3.463 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -13.075 -4.342 4.577 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.923 -3.437 5.134 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -15.174 -4.900 5.741 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.426 -3.481 6.873 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -14.292 -2.052 6.344 1.00 1.02 H new ATOM 0 HE ARG A 74 -16.030 -3.879 7.786 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -13.568 -1.369 8.126 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -14.099 -0.908 9.747 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.699 -3.287 9.867 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -15.863 -1.990 10.728 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.572 -1.689 2.956 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.364 -1.696 2.165 1.00 0.14 C ATOM 1059 C TYR A 75 -9.171 -1.764 3.083 1.00 0.13 C ATOM 1060 O TYR A 75 -8.939 -0.858 3.877 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.250 -0.447 1.299 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.276 -0.341 0.206 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.543 -1.417 -0.615 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -11.961 0.847 -0.018 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.461 -1.319 -1.630 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -12.889 0.950 -1.033 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.132 -0.139 -1.839 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.047 -0.050 -2.862 1.00 0.35 O ATOM 0 H TYR A 75 -11.591 -0.974 3.683 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.397 -2.565 1.508 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.331 0.431 1.940 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.257 -0.423 0.850 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.022 -2.350 -0.457 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.764 1.702 0.612 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.656 -2.170 -2.265 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.420 1.877 -1.194 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.135 0.885 -3.142 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.439 -2.842 2.990 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.229 -3.001 3.760 1.00 0.13 C ATOM 1080 C ALA A 76 -6.096 -3.358 2.838 1.00 0.12 C ATOM 1081 O ALA A 76 -6.314 -3.675 1.678 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.376 -4.050 4.839 1.00 0.16 C ATOM 0 H ALA A 76 -8.660 -3.631 2.383 1.00 0.14 H new ATOM 0 HA ALA A 76 -7.019 -2.055 4.259 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.441 -4.136 5.393 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.176 -3.762 5.520 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.616 -5.010 4.383 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.893 -3.296 3.339 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.740 -3.566 2.523 1.00 0.13 C ATOM 1090 C ALA A 77 -2.678 -4.247 3.347 1.00 0.14 C ATOM 1091 O ALA A 77 -2.743 -4.249 4.567 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.214 -2.280 1.914 1.00 0.12 C ATOM 0 H ALA A 77 -4.685 -3.061 4.309 1.00 0.13 H new ATOM 0 HA ALA A 77 -4.025 -4.232 1.709 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.341 -2.499 1.299 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.989 -1.826 1.296 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.933 -1.589 2.709 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.732 -4.846 2.675 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.609 -5.478 3.318 1.00 0.16 C ATOM 1100 C ARG A 78 0.568 -5.441 2.363 1.00 0.14 C ATOM 1101 O ARG A 78 0.447 -5.822 1.200 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.967 -6.906 3.739 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.009 -7.901 2.606 1.00 0.56 C ATOM 1104 CD ARG A 78 0.344 -8.563 2.450 1.00 1.56 C ATOM 1105 NE ARG A 78 0.282 -9.792 1.661 1.00 2.06 N ATOM 1106 CZ ARG A 78 1.295 -10.652 1.534 1.00 2.77 C ATOM 1107 NH1 ARG A 78 2.436 -10.450 2.185 1.00 3.25 N ATOM 1108 NH2 ARG A 78 1.158 -11.724 0.764 1.00 3.35 N ATOM 0 H ARG A 78 -1.718 -4.910 1.657 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.339 -4.944 4.229 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.241 -7.246 4.478 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.940 -6.893 4.231 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.772 -8.655 2.801 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.287 -7.398 1.679 1.00 0.56 H new ATOM 0 HD2 ARG A 78 1.033 -7.865 1.974 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.749 -8.789 3.436 1.00 1.56 H new ATOM 0 HE ARG A 78 -0.590 -10.006 1.177 1.00 2.06 H new ATOM 0 HH11 ARG A 78 2.542 -9.633 2.787 1.00 3.25 H new ATOM 0 HH12 ARG A 78 3.205 -11.112 2.083 1.00 3.25 H new ATOM 0 HH21 ARG A 78 0.280 -11.889 0.271 1.00 3.35 H new ATOM 0 HH22 ARG A 78 1.930 -12.383 0.665 1.00 3.35 H new ATOM 1122 N LEU A 79 1.689 -4.937 2.818 1.00 0.17 N ATOM 1123 CA LEU A 79 2.848 -4.873 1.962 1.00 0.15 C ATOM 1124 C LEU A 79 4.031 -5.523 2.634 1.00 0.15 C ATOM 1125 O LEU A 79 4.410 -5.157 3.741 1.00 0.22 O ATOM 1126 CB LEU A 79 3.181 -3.429 1.586 1.00 0.16 C ATOM 1127 CG LEU A 79 3.804 -3.251 0.195 1.00 0.15 C ATOM 1128 CD1 LEU A 79 3.991 -1.779 -0.124 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.122 -4.012 0.080 1.00 0.16 C ATOM 0 H LEU A 79 1.823 -4.571 3.760 1.00 0.17 H new ATOM 0 HA LEU A 79 2.618 -5.415 1.045 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.268 -2.836 1.638 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.867 -3.024 2.330 1.00 0.16 H new ATOM 0 HG LEU A 79 3.117 -3.671 -0.540 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.434 -1.675 -1.114 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.024 -1.277 -0.104 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.650 -1.327 0.617 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.540 -3.867 -0.916 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.824 -3.639 0.826 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.945 -5.074 0.248 1.00 0.16 H new ATOM 1141 N ASP A 80 4.588 -6.500 1.958 1.00 0.12 N ATOM 1142 CA ASP A 80 5.797 -7.150 2.401 1.00 0.12 C ATOM 1143 C ASP A 80 6.968 -6.616 1.599 1.00 0.11 C ATOM 1144 O ASP A 80 6.971 -6.684 0.378 1.00 0.15 O ATOM 1145 CB ASP A 80 5.665 -8.661 2.229 1.00 0.15 C ATOM 1146 CG ASP A 80 6.938 -9.416 2.564 1.00 1.16 C ATOM 1147 OD1 ASP A 80 7.827 -9.489 1.695 1.00 2.22 O ATOM 1148 OD2 ASP A 80 7.069 -9.906 3.707 1.00 1.06 O ATOM 0 H ASP A 80 4.214 -6.867 1.083 1.00 0.12 H new ATOM 0 HA ASP A 80 5.967 -6.942 3.457 1.00 0.12 H new ATOM 0 HB2 ASP A 80 4.858 -9.023 2.866 1.00 0.15 H new ATOM 0 HB3 ASP A 80 5.381 -8.879 1.199 1.00 0.15 H new ATOM 1153 N VAL A 81 7.935 -6.031 2.262 1.00 0.09 N ATOM 1154 CA VAL A 81 9.109 -5.565 1.560 1.00 0.10 C ATOM 1155 C VAL A 81 10.282 -6.461 1.894 1.00 0.12 C ATOM 1156 O VAL A 81 10.821 -6.410 2.995 1.00 0.13 O ATOM 1157 CB VAL A 81 9.466 -4.110 1.896 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.536 -3.609 0.953 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.241 -3.212 1.839 1.00 0.09 C ATOM 0 H VAL A 81 7.936 -5.867 3.269 1.00 0.09 H new ATOM 0 HA VAL A 81 8.884 -5.603 0.494 1.00 0.10 H new ATOM 0 HB VAL A 81 9.849 -4.081 2.916 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.783 -2.576 1.199 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.427 -4.229 1.052 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.170 -3.660 -0.073 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.528 -2.189 2.082 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.815 -3.241 0.836 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.500 -3.561 2.558 1.00 0.09 H new ATOM 1169 N SER A 82 10.659 -7.275 0.937 1.00 0.14 N ATOM 1170 CA SER A 82 11.753 -8.203 1.092 1.00 0.17 C ATOM 1171 C SER A 82 12.782 -7.987 -0.014 1.00 0.20 C ATOM 1172 O SER A 82 12.577 -8.381 -1.166 1.00 0.25 O ATOM 1173 CB SER A 82 11.210 -9.628 1.066 1.00 0.21 C ATOM 1174 OG SER A 82 10.088 -9.728 0.201 1.00 0.82 O ATOM 0 H SER A 82 10.211 -7.312 0.021 1.00 0.14 H new ATOM 0 HA SER A 82 12.248 -8.035 2.048 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.991 -10.313 0.736 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.925 -9.931 2.074 1.00 0.21 H new ATOM 0 HG SER A 82 9.267 -9.774 0.734 1.00 0.82 H new ATOM 1180 N PHE A 83 13.880 -7.348 0.340 1.00 0.21 N ATOM 1181 CA PHE A 83 14.913 -7.006 -0.620 1.00 0.24 C ATOM 1182 C PHE A 83 16.289 -7.143 0.019 1.00 0.24 C ATOM 1183 O PHE A 83 16.776 -6.223 0.676 1.00 0.23 O ATOM 1184 CB PHE A 83 14.696 -5.578 -1.145 1.00 0.26 C ATOM 1185 CG PHE A 83 15.804 -5.080 -2.034 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.259 -5.845 -3.097 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.396 -3.852 -1.795 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.285 -5.391 -3.903 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.424 -3.394 -2.598 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.867 -4.165 -3.655 1.00 0.34 C ATOM 0 H PHE A 83 14.081 -7.052 1.295 1.00 0.21 H new ATOM 0 HA PHE A 83 14.856 -7.694 -1.463 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.757 -5.543 -1.697 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.592 -4.901 -0.297 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.807 -6.805 -3.297 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.051 -3.244 -0.972 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.632 -5.996 -4.728 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.880 -2.435 -2.399 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.668 -3.809 -4.286 1.00 0.34 H new ATOM 1200 N GLY A 84 16.899 -8.304 -0.158 1.00 0.30 N ATOM 1201 CA GLY A 84 18.222 -8.535 0.380 1.00 0.34 C ATOM 1202 C GLY A 84 18.236 -8.543 1.893 1.00 0.34 C ATOM 1203 O GLY A 84 17.801 -9.513 2.519 1.00 0.41 O ATOM 0 H GLY A 84 16.500 -9.093 -0.666 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.600 -9.488 0.011 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.899 -7.762 0.017 1.00 0.34 H new ATOM 1207 N SER A 85 18.710 -7.457 2.481 1.00 0.32 N ATOM 1208 CA SER A 85 18.834 -7.364 3.925 1.00 0.36 C ATOM 1209 C SER A 85 17.552 -6.851 4.573 1.00 0.31 C ATOM 1210 O SER A 85 17.372 -6.966 5.785 1.00 0.35 O ATOM 1211 CB SER A 85 20.001 -6.462 4.277 1.00 0.43 C ATOM 1212 OG SER A 85 19.899 -5.206 3.623 1.00 0.42 O ATOM 0 H SER A 85 19.016 -6.625 1.977 1.00 0.32 H new ATOM 0 HA SER A 85 19.015 -8.366 4.315 1.00 0.36 H new ATOM 0 HB2 SER A 85 20.034 -6.311 5.356 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.936 -6.946 3.995 1.00 0.43 H new ATOM 0 HG SER A 85 20.664 -4.645 3.870 1.00 0.42 H new ATOM 1218 N VAL A 86 16.649 -6.304 3.770 1.00 0.24 N ATOM 1219 CA VAL A 86 15.399 -5.790 4.304 1.00 0.20 C ATOM 1220 C VAL A 86 14.269 -6.796 4.133 1.00 0.17 C ATOM 1221 O VAL A 86 14.134 -7.429 3.084 1.00 0.18 O ATOM 1222 CB VAL A 86 14.988 -4.439 3.665 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.655 -4.592 2.190 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.812 -3.839 4.416 1.00 0.19 C ATOM 0 H VAL A 86 16.757 -6.206 2.761 1.00 0.24 H new ATOM 0 HA VAL A 86 15.574 -5.620 5.366 1.00 0.20 H new ATOM 0 HB VAL A 86 15.840 -3.763 3.740 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.372 -3.623 1.779 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.527 -4.971 1.658 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.827 -5.291 2.075 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.533 -2.890 3.957 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.966 -4.525 4.375 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.092 -3.671 5.456 1.00 0.19 H new ATOM 1234 N THR A 87 13.489 -6.973 5.187 1.00 0.17 N ATOM 1235 CA THR A 87 12.265 -7.752 5.117 1.00 0.17 C ATOM 1236 C THR A 87 11.290 -7.246 6.173 1.00 0.15 C ATOM 1237 O THR A 87 11.562 -7.320 7.372 1.00 0.18 O ATOM 1238 CB THR A 87 12.531 -9.253 5.338 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.656 -9.675 4.553 1.00 0.25 O ATOM 1240 CG2 THR A 87 11.308 -10.065 4.951 1.00 0.23 C ATOM 0 H THR A 87 13.685 -6.583 6.109 1.00 0.17 H new ATOM 0 HA THR A 87 11.842 -7.632 4.120 1.00 0.17 H new ATOM 0 HB THR A 87 12.748 -9.416 6.394 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.818 -10.630 4.701 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.509 -11.124 5.112 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.460 -9.759 5.563 1.00 0.23 H new ATOM 0 HG23 THR A 87 11.076 -9.895 3.900 1.00 0.23 H new ATOM 1248 N ILE A 88 10.156 -6.739 5.715 1.00 0.12 N ATOM 1249 CA ILE A 88 9.195 -6.049 6.573 1.00 0.11 C ATOM 1250 C ILE A 88 7.792 -6.197 6.012 1.00 0.10 C ATOM 1251 O ILE A 88 7.623 -6.650 4.883 1.00 0.11 O ATOM 1252 CB ILE A 88 9.491 -4.552 6.684 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.299 -3.905 5.328 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.897 -4.306 7.205 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.571 -2.426 5.324 1.00 0.09 C ATOM 0 H ILE A 88 9.872 -6.793 4.737 1.00 0.12 H new ATOM 0 HA ILE A 88 9.277 -6.505 7.560 1.00 0.11 H new ATOM 0 HB ILE A 88 8.799 -4.107 7.399 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.958 -4.389 4.607 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.276 -4.079 4.993 1.00 0.09 H new ATOM 0 HG21 ILE A 88 11.077 -3.233 7.273 1.00 0.14 H new ATOM 0 HG22 ILE A 88 11.003 -4.755 8.193 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.621 -4.753 6.524 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.414 -2.030 4.321 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.895 -1.930 6.020 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.602 -2.245 5.628 1.00 0.09 H new ATOM 1267 N GLN A 89 6.792 -5.840 6.798 1.00 0.11 N ATOM 1268 CA GLN A 89 5.420 -5.847 6.323 1.00 0.14 C ATOM 1269 C GLN A 89 4.583 -4.786 7.040 1.00 0.14 C ATOM 1270 O GLN A 89 4.971 -4.280 8.095 1.00 0.20 O ATOM 1271 CB GLN A 89 4.798 -7.244 6.477 1.00 0.22 C ATOM 1272 CG GLN A 89 4.818 -7.819 7.891 1.00 0.68 C ATOM 1273 CD GLN A 89 3.583 -7.463 8.703 1.00 1.04 C ATOM 1274 OE1 GLN A 89 2.565 -8.154 8.634 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.667 -6.408 9.499 1.00 1.88 N ATOM 0 H GLN A 89 6.904 -5.542 7.767 1.00 0.11 H new ATOM 0 HA GLN A 89 5.428 -5.598 5.262 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.764 -7.202 6.135 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.325 -7.932 5.816 1.00 0.22 H new ATOM 0 HG2 GLN A 89 4.906 -8.904 7.833 1.00 0.68 H new ATOM 0 HG3 GLN A 89 5.704 -7.455 8.411 1.00 0.68 H new ATOM 0 HE21 GLN A 89 4.526 -5.859 9.530 1.00 1.88 H new ATOM 0 HE22 GLN A 89 2.872 -6.144 10.081 1.00 1.88 H new ATOM 1284 N CYS A 90 3.447 -4.447 6.443 1.00 0.20 N ATOM 1285 CA CYS A 90 2.514 -3.472 7.006 1.00 0.21 C ATOM 1286 C CYS A 90 1.096 -3.783 6.537 1.00 0.23 C ATOM 1287 O CYS A 90 0.919 -4.556 5.596 1.00 0.31 O ATOM 1288 CB CYS A 90 2.922 -2.053 6.595 1.00 0.22 C ATOM 1289 SG CYS A 90 3.731 -1.965 4.965 1.00 0.97 S ATOM 0 H CYS A 90 3.144 -4.840 5.552 1.00 0.20 H new ATOM 0 HA CYS A 90 2.543 -3.535 8.094 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.036 -1.418 6.585 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.597 -1.646 7.348 1.00 0.22 H new ATOM 1294 N ASN A 91 0.098 -3.189 7.183 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.307 -3.483 6.880 1.00 0.18 C ATOM 1296 C ASN A 91 -2.189 -2.244 7.019 1.00 0.16 C ATOM 1297 O ASN A 91 -2.123 -1.539 8.026 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.819 -4.597 7.799 1.00 0.20 C ATOM 1299 CG ASN A 91 -3.331 -4.602 7.948 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -4.047 -5.187 7.138 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -3.826 -3.965 8.999 1.00 1.82 N ATOM 0 H ASN A 91 0.232 -2.499 7.922 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.360 -3.812 5.842 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -1.496 -5.561 7.406 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.364 -4.485 8.783 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -4.833 -3.949 9.158 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.200 -3.491 9.650 1.00 1.82 H new ATOM 1308 N LEU A 92 -3.016 -1.987 6.003 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.885 -0.808 5.996 1.00 0.13 C ATOM 1310 C LEU A 92 -5.071 -0.994 6.934 1.00 0.14 C ATOM 1311 O LEU A 92 -5.693 -2.056 6.966 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.404 -0.465 4.586 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.699 0.364 4.550 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.476 1.784 5.066 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.262 0.415 3.151 1.00 0.12 C ATOM 0 H LEU A 92 -3.102 -2.578 5.176 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.270 0.022 6.343 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.626 0.082 4.053 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.571 -1.394 4.041 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.414 -0.130 5.208 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.414 2.338 5.025 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.123 1.745 6.096 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.732 2.284 4.446 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.178 1.006 3.149 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.533 0.872 2.482 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.483 -0.597 2.810 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.364 0.047 7.693 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.558 0.092 8.519 1.00 0.19 C ATOM 1329 C ASP A 93 -7.713 0.662 7.704 1.00 0.17 C ATOM 1330 O ASP A 93 -7.697 1.836 7.357 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.295 0.973 9.736 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.307 0.756 10.839 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -8.386 1.381 10.783 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -7.032 -0.034 11.760 1.00 1.02 O ATOM 0 H ASP A 93 -4.783 0.883 7.754 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.816 -0.913 8.852 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.295 0.768 10.119 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.312 2.020 9.433 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.723 -0.159 7.360 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.844 0.282 6.515 1.00 0.19 C ATOM 1341 C PRO A 94 -10.569 1.500 7.083 1.00 0.23 C ATOM 1342 O PRO A 94 -11.177 2.276 6.348 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.785 -0.923 6.496 1.00 0.24 C ATOM 1344 CG PRO A 94 -9.924 -2.090 6.818 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.851 -1.577 7.742 1.00 0.21 C ATOM 0 HA PRO A 94 -9.497 0.589 5.528 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.586 -0.810 7.227 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -11.258 -1.039 5.521 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.503 -2.881 7.295 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -9.489 -2.514 5.913 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -9.135 -1.687 8.789 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -7.913 -2.116 7.608 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.481 1.672 8.392 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.068 2.804 9.066 1.00 0.34 C ATOM 1355 C GLU A 95 -10.268 4.080 8.822 1.00 0.32 C ATOM 1356 O GLU A 95 -10.462 5.075 9.512 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.199 2.521 10.547 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.569 2.048 10.962 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.751 2.000 12.465 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -13.061 3.047 13.069 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -12.566 0.911 13.055 1.00 1.42 O ATOM 0 H GLU A 95 -9.997 1.024 9.014 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.064 2.964 8.652 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.465 1.766 10.829 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -10.955 3.426 11.103 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.321 2.710 10.532 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -12.745 1.055 10.549 1.00 0.69 H new ATOM 1368 N THR A 96 -9.294 4.022 7.920 1.00 0.23 N ATOM 1369 CA THR A 96 -8.546 5.204 7.540 1.00 0.24 C ATOM 1370 C THR A 96 -8.884 5.672 6.119 1.00 0.23 C ATOM 1371 O THR A 96 -8.510 6.773 5.711 1.00 0.30 O ATOM 1372 CB THR A 96 -7.045 4.941 7.637 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.622 4.038 6.617 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.696 4.371 9.001 1.00 0.31 C ATOM 0 H THR A 96 -9.008 3.168 7.442 1.00 0.23 H new ATOM 0 HA THR A 96 -8.831 5.994 8.235 1.00 0.24 H new ATOM 0 HB THR A 96 -6.527 5.890 7.501 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.171 3.227 6.649 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.623 4.189 9.055 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.983 5.081 9.776 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.231 3.434 9.151 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.585 4.817 5.382 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.006 5.094 3.990 1.00 0.23 C ATOM 1384 C VAL A 97 -10.734 6.435 3.827 1.00 0.29 C ATOM 1385 O VAL A 97 -10.789 6.975 2.728 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.911 3.957 3.449 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.495 4.297 2.077 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.133 2.653 3.372 1.00 0.51 C ATOM 0 H VAL A 97 -9.885 3.904 5.724 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.084 5.149 3.412 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.741 3.843 4.146 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.123 3.474 1.735 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.095 5.204 2.152 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.684 4.455 1.366 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.782 1.864 2.991 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.281 2.777 2.704 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.778 2.382 4.366 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.263 6.996 4.902 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.072 8.206 4.780 1.00 0.38 C ATOM 1400 C LYS A 98 -11.196 9.425 4.549 1.00 0.40 C ATOM 1401 O LYS A 98 -10.957 10.212 5.465 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.990 8.443 5.986 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.897 7.265 6.354 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.128 6.109 6.974 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.218 6.600 8.067 1.00 1.34 C ATOM 1406 NZ LYS A 98 -12.961 7.173 9.220 1.00 2.40 N ATOM 0 H LYS A 98 -11.153 6.645 5.853 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.715 8.051 3.913 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.373 8.690 6.850 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.615 9.313 5.782 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.662 7.604 7.052 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.414 6.915 5.460 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.827 5.376 7.378 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -12.542 5.602 6.207 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -11.597 5.775 8.415 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.546 7.356 7.662 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -12.290 7.433 9.971 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -13.481 8.019 8.912 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -13.633 6.468 9.585 1.00 2.40 H new